Hi, I am using peak volumes from "fully relaxed" 2D correlation spectra to quantify populations in a slowly exchanging system. Is there a way to get an error
Peak height versus peak volume
Given a standard NOESY-based protein structure determination: Does anyone have any information on the benefits of measuring peak intensity by a volume integration method rather than simply measuring the peak height.
Obviously integration is theoretically more accurate, but does it make any difference to the quality of the structures produced? especially if peak lineshapes are comparable?
I was hoping to find some study comparing structures produced by both methods.....
I'm also curious about the benefits of distance-calbrating NOEs to a curve rather than simply putting restraints...
paul
NMR Questions and Answers
3
09-15-2015 07:48 PM
Quantitative comparison of errors in 15N transverse relaxation rates measured using various CPMG phasing schemes
Quantitative comparison of errors in 15N transverse relaxation rates measured using various CPMG phasing schemes
Abstract Nitrogen-15 Carr-Purcell-Meiboom-Gill (CPMG) transverse relaxation experiment are widely used to characterize protein backbone dynamics and chemical exchange parameters. Although an accurate value of the transverse relaxation rate, R2, is needed for accurate characterization of dynamics, the uncertainty in the R2 value depends on the experimental settings and the details of the data analysis itself. Here, we present an analysis of the impact of CPMG pulse phase...
[U. of Ottawa NMR Facility Blog] First-Order Phase Errors
First-Order Phase Errors
The phase of a signal in an NMR spectrum is described here and is determined by the axis on which the magnetization vector resides after the observe pulse relative to the receiver. The phase of the spectrum is typically corrected such that the peak in the real spectrum is entirely in absorption mode while that in the imaginary spectrum is entirely in dispersion mode. The correction in phase is referred to as the zero-order phase correction. A zero-order phase correction applies to all peaks in the spectrum regardless of their offset, ?, from resonance. There are...
[NMR paper] Automated peak picking and peak integration in macromolecular NMR spectra using AUTOP
Automated peak picking and peak integration in macromolecular NMR spectra using AUTOPSY.
Related Articles Automated peak picking and peak integration in macromolecular NMR spectra using AUTOPSY.
J Magn Reson. 1998 Dec;135(2):288-97
Authors: Koradi R, Billeter M, Engeli M, Güntert P, Wüthrich K
A new approach for automated peak picking of multidimensional protein NMR spectra with strong overlap is introduced, which makes use of the program AUTOPSY (automated peak picking for NMR spectroscopy). The main elements of this program are a novel...
nmrlearner
Journal club
0
11-17-2010 11:15 PM
The war of tools: how can NMR spectroscopists detect errors in their structures?
The war of tools: how can NMR spectroscopists detect errors in their structures?
Edoardo Saccenti and Antonio Rosato
Journal of Biomolecular NMR; 2008; 40(4) pp 251 - 261
Abstract:
Protein structure determination by NMR methods has started in the mid-eighties and has been growing steadily since then. Ca. 14% of the protein structures deposited in the PDB have been solved by NMR. The evaluation of the quality of NMR structures however is still lacking a well-established practice. In this work, we examined various tools for the assessment of structural quality to ascertain the extent to...
Peak Volume Errors
Linear Mode
